| SpectraBase Compound ID | AeXMO1DEH2Y |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-7-8-9-10-13-21-16(19)18(4,5)17(20)22-14-11-12-15(2)3/h15H,6-14H2,1-5H3 |
| InChIKey | KQUJGBIKGZBJIV-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ygpytAz58l |
|---|---|
| Name | Dimethylmalonic acid, heptyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-6-7-8-9-10-13-21-16(19)18(4,5)17(20)22-14-11-12-15(2)3/h15H,6-14H2,1-5H3 |
| InChIKey | KQUJGBIKGZBJIV-UHFFFAOYSA-N |
| SMILES | CCCCCCCOC(C(C(=O)OCCCC(C)C)(C)C)=O |